py-MCMD: Python Software for Performing Hybrid Monte Carlo/Molecular Dynamics Simulations with GOMC and NAMD.
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DOI: 10.1021/acs.jctc.1c00911
Abstract: py-MCMD, an open-source Python software, provides a robust workflow layer that manages communication of relevant system information between the simulation engines NAMD and GOMC and generates coherent thermodynamic properties and trajectories for analysis. To validate… read more here.
Keywords: monte carlo; python software; molecular dynamics; monte ... See more keywords